![N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide structure](/static/products/4288/428856-86-4.webp)
N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide
TL;DR: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide (CAS 428856-86-4) is a chemical compound with molecular formula C18H19N5OS and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide
Also Known As: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide, N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide
| Molecular Formula | C18H19N5OS |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.34202 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.13104 |
| Heavy Atoms | 25 |
| Complexity | 916.866 |
Chemical Identifiers
| CAS Number | 428856-86-4 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)C |
Product Overview
N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide (CAS 428856-86-4), with molecular formula C18H19N5OS and molecular weight 353.13 g/mol. IUPAC: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide.
Chemical Property Profile of N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide
Property Insights of N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide
The XLogP value of 3.34202 indicates that N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide. Following Lipinski's Rule of Five, N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide?
The CAS number of N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide is 428856-86-4.
What is the molecular formula of N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide?
The molecular formula of N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide is C18H19N5OS.
What is the molecular weight of N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide?
The molecular weight of N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide is 353.13 g/mol.
Where can I buy N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide?
You can request a quote for N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.